(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione

C24H18N4O5 — CID 45274004

IUPAC(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc4oc(C5CC5)cc4c3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C24H18N4O5/c29-21-20-13(5-6-16-14(20)8-18(32-16)12-3-4-12)10-28(21)11-24(22(30)26-23(31)27-24)19-9-15-17(33-19)2-1-7-25-15/h1-2,5-9,12H,3-4,10-11H2,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyPUYWVXWHACEQAV-DEOSSOPVSA-N
MW442.43 g/mol
LogP3.14
Rot. Bonds4

About (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45274004) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
PubChem CID45274004
Molecular FormulaC24H18N4O5
Molecular Weight442.43 g/mol
Exact Mass442.13
IUPAC Name(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc4oc(C5CC5)cc4c3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C24H18N4O5/c29-21-20-13(5-6-16-14(20)8-18(32-16)12-3-4-12)10-28(21)11-24(22(30)26-23(31)27-24)19-9-15-17(33-19)2-1-7-25-15/h1-2,5-9,12H,3-4,10-11H2,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyPUYWVXWHACEQAV-DEOSSOPVSA-N
XLogP3.14
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione (CID 45274004) is (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc4oc(C5CC5)cc4c3C2=O)(c2cc3ncccc3o2)N1.
What is the InChIKey of (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is PUYWVXWHACEQAV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18N4O5/c29-21-20-13(5-6-16-14(20)8-18(32-16)12-3-4-12)10-28(21)11-24(22(30)26-23(31)27-24)19-9-15-17(33-19)2-1-7-25-15/h1-2,5-9,12H,3-4,10-11H2,(H2,26,27,30,31)/t24-/m0/s1.
What are the key properties of (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 442.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(7-cyclopropyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45274004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).